(4S)-4-fluoro-1-methylpyrrolidine-3-thiol

C5H10FNS — CID 166799193

IUPAC(4S)-4-fluoro-1-methylpyrrolidine-3-thiol
SMILESCN1CC(S)[C@@H](F)C1
InChIInChI=1S/C5H10FNS/c1-7-2-4(6)5(8)3-7/h4-5,8H,2-3H2,1H3/t4-,5?/m0/s1
InChIKeyHMFXJHNANJORTB-ROLXFIACSA-N
MW135.21 g/mol
LogP0.57
Rot. Bonds

About (4S)-4-fluoro-1-methylpyrrolidine-3-thiol

(4S)-4-fluoro-1-methylpyrrolidine-3-thiol (PubChem CID 166799193) has the molecular formula C5H10FNS and a molecular weight of 135.21 g/mol. Its IUPAC name is (4S)-4-fluoro-1-methylpyrrolidine-3-thiol.

Molecular Properties

Compound Name(4S)-4-fluoro-1-methylpyrrolidine-3-thiol
PubChem CID166799193
Molecular FormulaC5H10FNS
Molecular Weight135.21 g/mol
Exact Mass135.05
IUPAC Name(4S)-4-fluoro-1-methylpyrrolidine-3-thiol
SMILESCN1CC(S)[C@@H](F)C1
InChIInChI=1S/C5H10FNS/c1-7-2-4(6)5(8)3-7/h4-5,8H,2-3H2,1H3/t4-,5?/m0/s1
InChIKeyHMFXJHNANJORTB-ROLXFIACSA-N
XLogP0.57
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze (4S)-4-fluoro-1-methylpyrrolidine-3-thiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S)-4-fluoro-1-methylpyrrolidine-3-thiol?
The IUPAC name of (4S)-4-fluoro-1-methylpyrrolidine-3-thiol (CID 166799193) is (4S)-4-fluoro-1-methylpyrrolidine-3-thiol.
What is the SMILES notation for (4S)-4-fluoro-1-methylpyrrolidine-3-thiol?
The canonical SMILES for (4S)-4-fluoro-1-methylpyrrolidine-3-thiol is CN1CC(S)[C@@H](F)C1.
What is the InChIKey of (4S)-4-fluoro-1-methylpyrrolidine-3-thiol?
The InChIKey is HMFXJHNANJORTB-ROLXFIACSA-N. The full InChI is InChI=1S/C5H10FNS/c1-7-2-4(6)5(8)3-7/h4-5,8H,2-3H2,1H3/t4-,5?/m0/s1.
What are the key properties of (4S)-4-fluoro-1-methylpyrrolidine-3-thiol?
(4S)-4-fluoro-1-methylpyrrolidine-3-thiol has a molecular weight of 135.21 g/mol, XLogP of 0.57, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-fluoro-1-methylpyrrolidine-3-thiol is sourced from PubChem (CID 166799193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).